CID 343801

4-(4-chlorobenzenesulfonyl)phenol

Structural Information

Molecular Formula
C12H9ClO3S
SMILES
C1=CC(=CC=C1O)S(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H9ClO3S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,14H
InChIKey
LFASIQLVFCSCCU-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)sulfonylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

724
Patents

267.9961 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.00338 153.1
[M+Na]+ 290.98532 163.6
[M-H]- 266.98882 159.6
[M+NH4]+ 286.02992 170.5
[M+K]+ 306.95926 157.7
[M+H-H2O]+ 250.99336 148.0
[M+HCOO]- 312.99430 166.5
[M+CH3COO]- 327.00995 188.3
[M+Na-2H]- 288.97077 157.9
[M]+ 267.99555 157.2
[M]- 267.99665 157.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.